3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide

C27H35N3O3 — CID 92872421

IUPAC3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN4CCOCC4)c3)C2)cc1
InChIInChI=1S/C27H35N3O3/c1-2-21-8-10-22(11-9-21)27(32)30-13-4-7-25(20-30)23-5-3-6-24(19-23)26(31)28-12-14-29-15-17-33-18-16-29/h3,5-6,8-11,19,25H,2,4,7,12-18,20H2,1H3,(H,28,31)/t25-/m1/s1
InChIKeyQMODBSLTHDPHHB-RUZDIDTESA-N
MW449.60 g/mol
LogP3.33
Rot. Bonds7

About 3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide

3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 92872421) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID92872421
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN4CCOCC4)c3)C2)cc1
InChIInChI=1S/C27H35N3O3/c1-2-21-8-10-22(11-9-21)27(32)30-13-4-7-25(20-30)23-5-3-6-24(19-23)26(31)28-12-14-29-15-17-33-18-16-29/h3,5-6,8-11,19,25H,2,4,7,12-18,20H2,1H3,(H,28,31)/t25-/m1/s1
InChIKeyQMODBSLTHDPHHB-RUZDIDTESA-N
XLogP3.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891197
3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 46333982
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 92872415
N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 92872462
N-cyclopentyl-3-[1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 46333971
N-cyclopentyl-3-[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 92872382
(3S)-N-(4-ethylphenyl)-3-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872769
(3S)-N-(4-ethylphenyl)-3-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872765
N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333958
(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 92872741
3-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334212
3-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789050

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 92872421) is 3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide is CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN4CCOCC4)c3)C2)cc1.
What is the InChIKey of 3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is QMODBSLTHDPHHB-RUZDIDTESA-N. The full InChI is InChI=1S/C27H35N3O3/c1-2-21-8-10-22(11-9-21)27(32)30-13-4-7-25(20-30)23-5-3-6-24(19-23)26(31)28-12-14-29-15-17-33-18-16-29/h3,5-6,8-11,19,25H,2,4,7,12-18,20H2,1H3,(H,28,31)/t25-/m1/s1.
What are the key properties of 3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide?
3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 449.60 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 92872421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).